[2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 5-bromanyl-2-fluoranyl-benzoate

Systemtic Name: [2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 5-bromanyl-2-fluoranyl-benzoate Openeye Name: [2-[4-(butanoylamino)phenyl]-2-oxo-ethyl] 5-bromo-2-fluoro-benzoate CAS Name: 5-bromo-2-fluorobenzoic acid [2-oxo-2-[4-(1-oxobutylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 5-bromo-2-fluorobenzoate Traditional Name: 5-bromo-2-fluoro-benzoic acid [2-(4-butyramidophenyl)-2-keto-ethyl] ester Formula: C19H17BrFNO4 MolecularWeight: 422.244983

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)Br)F

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C19H17BrFNO4/c1-2-3-18(24)22-14-7-4-12(5-8-14)17(23)11-26-19(25)15-10-13(20)6-9-16(15)21/h4-10H,2-3,11H2,1H3,(H,22,24)